mail[bug #20873] Custom Peak intensity reading cannot read a list of spectrum_id


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Troels E. Linnet on June 10, 2013 - 13:52:
Follow-up Comment #12, bug #20873 (project relax):

The latest change made the importing possible of several intensity columns,
from the generic file.

But only to make the following GUI steps not working.
After loading intensities, the GUI continues with:
1) Spectrometer_frequency_setup
2) Relaxation_delay_time_setting 
3) CPMG_frequency_setting

These GUI'a are now not working, since they by default use the spectrum name
which was least imported.
And for a list of names, it then make a full string name:
spectrum_id=['0_2', '1_0'] -> spectrometer.frequency(id="['0_2', '1_0']"

One would be able to SKIP: 1) Spectrometer_frequency_setup and 2)
Relaxation_delay_time_setting. But it is not possible to skip 3)
CPMG_frequency_setting, and so no import will be possible.

It is further not possible to set time=None in CPMG_frequency_setting. "None"
is marking the pulse scheme without 180 refocus pulse, and is used as a
reference for intensity proportionality.

------
relax> relax_disp.cpmg_frq(spectrum_id='3_0', cpmg_frq=u'None')
File
"/sbinlab2/software/NMR-relax/relax_disp/specific_analyses/relax_disp/disp_data.py",
line 152, in cpmg_frq
    cdp.cpmg_frqs[spectrum_id] = float(cpmg_frq)
ValueError: could not convert string to float: None
------

Screenshots and log errors are provided.

I suggest that step 1+2+3 is skipped during importing of intensity columns. A
following call to step 1+2+3, it should be possible to assign and propagate
the settings to all loaded intensity columns, since they would highly likely
be the same.

(file #18067, file #18068, file #18069, file #18070)
    _______________________________________________________

Additional Item Attachment:

File name: Screenshot-Peak_intensity_loading_wizard_CPMG_frequency_setting.png
Size:49 KB
File name:
Screenshot-Peak_intensity_loading_wizard_Relaxation_delay_time_setting.png
Size:51 KB
File name: Screenshot-Peak_intensity_loading_wizard_CPMG_frequency_setting.log
Size:0 KB
File name:
Screenshot-Peak_intensity_loading_wizard_Relaxation_delay_time_setting.log
Size:0 KB


    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?20873>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/




Related Messages


Powered by MHonArc, Updated Mon Jun 10 14:00:08 2013